(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine

C18H21N7 — CID 145095999

IUPAC(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cn2nccc2c(-c2cnn([C@@H]3CCCC3C)c2)n1
InChIInChI=1S/C18H21N7/c1-12-3-2-4-16(12)24-10-14(9-22-24)18-17-5-6-21-25(17)11-15(23-18)13(7-19)8-20/h5-12,16,19H,2-4,20H2,1H3/b13-8+,19-7+/t12?,16-/m1/s1
InChIKeyYJGNLYOWBUPKTP-UECJVLEUSA-N
MW335.42 g/mol
LogP2.90
Rot. Bonds4

About (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine

(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine (PubChem CID 145095999) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine
PubChem CID145095999
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1cn2nccc2c(-c2cnn([C@@H]3CCCC3C)c2)n1
InChIInChI=1S/C18H21N7/c1-12-3-2-4-16(12)24-10-14(9-22-24)18-17-5-6-21-25(17)11-15(23-18)13(7-19)8-20/h5-12,16,19H,2-4,20H2,1H3/b13-8+,19-7+/t12?,16-/m1/s1
InChIKeyYJGNLYOWBUPKTP-UECJVLEUSA-N
XLogP2.90
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine (CID 145095999) is (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)c1cn2nccc2c(-c2cnn([C@@H]3CCCC3C)c2)n1.
What is the InChIKey of (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine?
The InChIKey is YJGNLYOWBUPKTP-UECJVLEUSA-N. The full InChI is InChI=1S/C18H21N7/c1-12-3-2-4-16(12)24-10-14(9-22-24)18-17-5-6-21-25(17)11-15(23-18)13(7-19)8-20/h5-12,16,19H,2-4,20H2,1H3/b13-8+,19-7+/t12?,16-/m1/s1.
What are the key properties of (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine?
(Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine has a molecular weight of 335.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[4-[1-[(1R)-2-methylcyclopentyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]prop-1-en-1-amine is sourced from PubChem (CID 145095999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).